(2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 6-fluoropyridine-3-carboxylate

C14H9FN2O3S — CID 71999354

IUPAC(2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 6-fluoropyridine-3-carboxylate
SMILESO=C(OCc1cnc(-c2cccs2)o1)c1ccc(F)nc1
InChIInChI=1S/C14H9FN2O3S/c15-12-4-3-9(6-16-12)14(18)19-8-10-7-17-13(20-10)11-2-1-5-21-11/h1-7H,8H2
InChIKeyOEPQBUCRBXLHRX-UHFFFAOYSA-N
MW304.30 g/mol
LogP3.29
Rot. Bonds4

About (2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 6-fluoropyridine-3-carboxylate

(2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 6-fluoropyridine-3-carboxylate (PubChem CID 71999354) has the molecular formula C14H9FN2O3S and a molecular weight of 304.30 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 6-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 6-fluoropyridine-3-carboxylate
PubChem CID71999354
Molecular FormulaC14H9FN2O3S
Molecular Weight304.30 g/mol
Exact Mass304.03
IUPAC Name(2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 6-fluoropyridine-3-carboxylate
SMILESO=C(OCc1cnc(-c2cccs2)o1)c1ccc(F)nc1
InChIInChI=1S/C14H9FN2O3S/c15-12-4-3-9(6-16-12)14(18)19-8-10-7-17-13(20-10)11-2-1-5-21-11/h1-7H,8H2
InChIKeyOEPQBUCRBXLHRX-UHFFFAOYSA-N
XLogP3.29
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 6-fluoropyridine-3-carboxylate?
The IUPAC name of (2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 6-fluoropyridine-3-carboxylate (CID 71999354) is (2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 6-fluoropyridine-3-carboxylate.
What is the SMILES notation for (2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 6-fluoropyridine-3-carboxylate?
The canonical SMILES for (2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 6-fluoropyridine-3-carboxylate is O=C(OCc1cnc(-c2cccs2)o1)c1ccc(F)nc1.
What is the InChIKey of (2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 6-fluoropyridine-3-carboxylate?
The InChIKey is OEPQBUCRBXLHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3S/c15-12-4-3-9(6-16-12)14(18)19-8-10-7-17-13(20-10)11-2-1-5-21-11/h1-7H,8H2.
What are the key properties of (2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 6-fluoropyridine-3-carboxylate?
(2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 6-fluoropyridine-3-carboxylate has a molecular weight of 304.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-oxazol-5-yl)methyl 6-fluoropyridine-3-carboxylate is sourced from PubChem (CID 71999354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).